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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Plasma kallikrein | ||
| Ligand | BDBM303808 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Determination of the Plasma Kallikrein Activity | ||
| IC50 | 740±n/a nM | ||
| Citation |  Röhrig, S; Hillisch, A; Heitmeier, S; Schmidt, MV; Schlemmer, K; Tersteegen, A; Schäfer, M; Teller, H; Jimènez Nùnez, E Factor xia-inhibiting pyridobenzazepine and pyridobenzazocine derivatives US Patent US10138236 Publication Date 11/27/2018 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Plasma kallikrein | |||
| Name: | Plasma kallikrein | ||
| Synonyms: | Fletcher factor | KLK3 | KLKB1 | KLKB1_HUMAN | Kallikrein | Kininogenin | Plasma kallikrein heavy chain | Plasma kallikrein light chain | Plasma prekallikrein | ||
| Type: | Protein | ||
| Mol. Mass.: | 71391.16 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P03952 | ||
| Residue: | 638 | ||
| Sequence: |
| ||
| BDBM303808 | |||
| n/a | |||
| Name | BDBM303808 | ||
| Synonyms: | 4-{[2-(11′-Chloro-2′,5′-dioxo-2′,5′,6′,8′-tetrahydro-3′H-spiro[cyclopropane-1,7′-pyrido[3,4-e][3]benzazocine]-3′-yl)-3-(trans-4-methoxycyclohexyl)propanoyl]amino}-2-fluorobenzamide (Stereoisomer Mixture) | US10138236, Example 26 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H34ClFN4O5 | ||
| Mol. Mass. | 621.098 | ||
| SMILES | CO[C@H]1CC[C@H](CC(C(=O)Nc2ccc(C(N)=O)c(F)c2)n2cc3c(cc2=O)-c2cc(Cl)ccc2CC2(CC2)NC3=O)CC1 |r,wU:2.1,wD:5.5,$;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;$,(6.38,5.01,;5.05,5.78,;3.71,5,;3.71,3.46,;2.38,2.7,;1.05,3.46,;-.29,2.69,;-.29,1.15,;1.05,.38,;1.05,-1.16,;2.38,1.15,;3.71,.38,;3.71,-1.16,;5.05,-1.93,;6.38,-1.16,;7.71,-1.92,;9.05,-1.15,;7.71,-3.46,;6.38,.38,;7.71,1.15,;5.05,1.15,;-1.62,.38,;-2.95,1.15,;-4.29,.38,;-4.29,-1.16,;-2.95,-1.93,;-1.62,-1.16,;-.29,-1.93,;-5.62,-1.93,;-5.62,-3.47,;-6.96,-4.24,;-6.96,-5.78,;-8.29,-3.47,;-8.29,-1.93,;-6.96,-1.16,;-7.91,.01,;-7.51,1.5,;-9.05,1.5,;-8.28,2.83,;-6.17,2.27,;-4.69,1.87,;-3.6,2.96,;1.05,5,;2.38,5.77,)| | ||
| Structure | 
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